Chemical Properties of 3,4-Dimethyl-3-cyclohexenylmethanal

InChI

InChI=1S/C9H14O/c1-7-3-4-9(6-10)5-8(7)2/h6,9H,3-5H2,1-2H3

InChI Key

NOJNKSAQZMVMFF-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC1=C(C)CC(C=O)CC1

Molecular Weight¹

138.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.83; 422.12]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.31200e+01
Coefficient B			7.80440e-01
Coefficient C			-3.93000e-04
Coefficient D			5.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.83	J/mol×K	273.00	Calculated Property
Cp,gas	206.35	J/mol×K	353.78	Calculated Property
Cp,gas	246.55	J/mol×K	434.56	Calculated Property
Cp,gas	282.61	J/mol×K	515.33	Calculated Property
Cp,gas	314.70	J/mol×K	596.11	Calculated Property
Cp,gas	343.01	J/mol×K	676.89	Calculated Property
Cp,gas	367.73	J/mol×K	757.67	Calculated Property
Cp,gas	389.03	J/mol×K	838.44	Calculated Property
Cp,gas	407.10	J/mol×K	919.22	Calculated Property
Cp,gas	422.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026032; 0.0003007]	Pa×s	[266.37; 484.67]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.07432e+01
Coefficient B			1.27650e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			266.37
Temperature range, max.			484.67
η	0.0026032	Pa×s	266.37	Calculated Property
η	0.0017450	Pa×s	290.63	Calculated Property
η	0.0012441	Pa×s	314.88	Calculated Property
η	0.0009310	Pa×s	339.14	Calculated Property
η	0.0007242	Pa×s	363.39	Calculated Property
η	0.0005813	Pa×s	387.65	Calculated Property
η	0.0004788	Pa×s	411.91	Calculated Property
η	0.0004030	Pa×s	436.16	Calculated Property
η	0.0003454	Pa×s	460.42	Calculated Property
η	0.0003007	Pa×s	484.67	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethyl-3-cyclohexenylmethanal.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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